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<no title>
API
drugforge
drugforge.alchemy
drugforge.alchemy.alchemize
drugforge.alchemy.alchemize.write_clusters
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drugforge.alchemy.alchemize.write_clusters
drugforge.alchemy.alchemize.
write_clusters
(
alchemical_clusters
,
clusterfiles_prefix
,
outsiders
,
console
=
None
)
[source]
Stores clusters to individual SDF files using the clusterfiles prefix variable. Useful for CLI.